General Property |
Molceule ID (DB) | EGIN0000906 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 17 compound |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-oxopent-2-enamide |
Formula | C19H15BrN4O2 |
Mass | 411.252 |
Exact Mass | 410.0378384 |
Composition | C (55.49%), H (3.68%), Br (19.43%), N (13.62%), O (7.78%) |
Atom Count | 41 |
PI | 9.09 |
Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(cc2)NC(=O)/C=C/C(=O)C |
InChI | 1S/C19H15BrN4O2/c1-12(25)5-8-18(26)23-15-6-7-17-16(10-15)19(22-11-21-17)24-14-4-2-3-13(20)9-14/h2-11
H,1H3,(H,23,26)(H,21,22,24)/b8-5+ |
InChIKey | GOZHWVCSXUTKRE-VMPITWQZSA-N |
2D Structure | ![](./image/EGIN0000906.png) | Structure Backbone | ![](./frame/f_EGIN0000906.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 11462982 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5329078
|
Drug Bank Link | - |
ChemSpider Link | 4486240 |
ChEMBL Link | CHEMBL136178 |